Re: [AMBER] relaxation in t/xleap

From: David A Case <david.case.rutgers.edu>
Date: Thu, 25 Jun 2015 08:14:31 -0400

On Thu, Jun 25, 2015, newamber list wrote:
>
> So the 'relaxation' option in xleap uses the steepest descent or gradient
> algorithm ?

I don't know how it works....you'd probably have to study the code itself to
find out, since I don't think the details are documented any where.

...dac


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Received on Thu Jun 25 2015 - 05:30:02 PDT
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